4345

Source:http://linkedlifedata.com/resource/chembl/compound/4345

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:4345_BIRG-0587_RESEARCH_CODE, synonym:4345_Nevirapine_BAN, synonym:4345_Nevirapine_FDA_ALTERNATIVE_NAME, synonym:4345_Nevirapine_INN, synonym:4345_Nevirapine_USAN, synonym:4345_Viramune XR_TRADE_NAME, synonym:4345_Viramune_OTHER, synonym:4345_Viramune_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
chemicalCompound:standardIn...	NQDJXKOVJZTUJA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12
chemicalCompound:molecularF...	C15H14N4O
chemicalCompound:moleculeId	4345
chemicalCompound:mwFreebase	266.298
chemicalCompound:alogp	2.293
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	58.12
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.054
chemicalCompound:acdLogP	2.639
chemicalCompound:acdLogD	2.639
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	266.298
chemicalCompound:acdMostBpk...	4.247
chemicalCompound:chemblId	CHEMBL57
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:104345
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	NEVIRAPINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:44659
chemicalCompound:firstAppro...	1996
chemicalCompound:activity	activity:39372, activity:39373, activity:39374, activity:39375, activity:39376, activity:43576, activity:43577, activity:43578, activity:43579, activity:43580, activity:43581, activity:43582, activity:43583, activity:43584, activity:43585, activity:43586, activity:43587, activity:43588, activity:43589, activity:43590, activity:43591, activity:43592, activity:43593, activity:43594, activity:43595, activity:43596, activity:43597, activity:43598, activity:43599, activity:43600, activity:43601, activity:43602, activity:43603, activity:43604, activity:43605, activity:103298, activity:114508, activity:114509, activity:129688, activity:197808, activity:197809, activity:197810, activity:197811, activity:197812, activity:197813, activity:264204, activity:264205, activity:264206, activity:264207, activity:264208, activity:264209, activity:273490, activity:277157, activity:279434, activity:290954